ethyl 6-azanyl-5-cyano-2-[(3-cyano-6-pyridin-2-yl-pyridin-2-yl)sulfanylmethyl]-4-(4-propan-2-ylphenyl)-4H-pyran-3-carboxylate

Systemtic Name: ethyl 6-azanyl-5-cyano-2-[(3-cyano-6-pyridin-2-yl-pyridin-2-yl)sulfanylmethyl]-4-(4-propan-2-ylphenyl)-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-5-cyano-2-[[3-cyano-6-(2-pyridyl)-2-pyridyl]sulfanylmethyl]-4-(4-isopropylphenyl)-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-2-[[[3-cyano-6-(2-pyridinyl)-2-pyridinyl]thio]methyl]-4-(4-propan-2-ylphenyl)-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-5-cyano-2-[(3-cyano-6-pyridin-2-ylpyridin-2-yl)sulfanylmethyl]-4-(4-propan-2-ylphenyl)-4H-pyran-3-carboxylate Traditional Name: 6-amino-5-cyano-2-[[[3-cyano-6-(2-pyridyl)-2-pyridyl]thio]methyl]-4-p-cumenyl-4H-pyran-3-carboxylic acid ethyl ester Formula: C30H27N5O3S MolecularWeight: 537.63208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)C(C)C)C#N)N)CSC3=C(C=CC(=N3)C4=CC=CC=N4)C#N

Isomeric SMILES

CCOC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)C(C)C)C#N)N)CSC3=C(C=CC(=N3)C4=CC=CC=N4)C#N

InChI

InChI=1S/C30H27N5O3S/c1-4-37-30(36)27-25(17-39-29-21(15-31)12-13-24(35-29)23-7-5-6-14-34-23)38-28(33)22(16-32)26(27)20-10-8-19(9-11-20)18(2)3/h5-14,18,26H,4,17,33H2,1-3H3